Ethyl 4-fluoro-3-methylbenzoylformate
TL;DR: Ethyl 4-fluoro-3-methylbenzoylformate (CAS 732251-71-7) is a chemical compound with molecular formula C11H11FO3 and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-fluoro-3-methylphenyl)-2-oxoacetate
Also Known As: Ethyl 4-fluoro-3-methylbenzoylformate, ethyl 2-(4-fluoro-3-methylphenyl)-2-oxoacetate, Ethyl4-fluoro-3-methylbenzoylformate, 8920AE, Ethyl (4-fluoro-3-methylphenyl)(oxo)acetate
| Molecular Formula | C11H11FO3 |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 1.87992 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.06923 |
| Heavy Atoms | 15 |
| Complexity | 398.81955 |
Chemical Identifiers
| CAS Number | 732251-71-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC(=C(C=C1)F)C |
Product Overview
Ethyl 4-fluoro-3-methylbenzoylformate (CAS 732251-71-7), with molecular formula C11H11FO3 and molecular weight 210.07 g/mol. IUPAC: ethyl 2-(4-fluoro-3-methylphenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 4-fluoro-3-methylbenzoylformate
Property Insights of Ethyl 4-fluoro-3-methylbenzoylformate
The XLogP value of 1.87992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-fluoro-3-methylbenzoylformate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 4-fluoro-3-methylbenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-fluoro-3-methylbenzoylformate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-fluoro-3-methylbenzoylformate?
The CAS number of Ethyl 4-fluoro-3-methylbenzoylformate is 732251-71-7.
What is the molecular formula of Ethyl 4-fluoro-3-methylbenzoylformate?
The molecular formula of Ethyl 4-fluoro-3-methylbenzoylformate is C11H11FO3.
What is the molecular weight of Ethyl 4-fluoro-3-methylbenzoylformate?
The molecular weight of Ethyl 4-fluoro-3-methylbenzoylformate is 210.07 g/mol.
Where can I buy Ethyl 4-fluoro-3-methylbenzoylformate?
You can request a quote for Ethyl 4-fluoro-3-methylbenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-fluoro-3-methylbenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-fluoro-3-methylbenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.